3-nitro-N-[3-[3-(phenylmethyl)imidazol-3-ium-1-yl]quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: 3-nitro-N-[3-[3-(phenylmethyl)imidazol-3-ium-1-yl]quinoxalin-2-yl]benzenesulfonamide Openeye Name: N-[3-(3-benzylimidazol-3-ium-1-yl)quinoxalin-2-yl]-3-nitro-benzenesulfonamide CAS Name: 3-nitro-N-[3-[3-(phenylmethyl)-1-imidazol-3-iumyl]-2-quinoxalinyl]benzenesulfonamide IUPAC Name: N-[3-(3-benzylimidazol-3-ium-1-yl)quinoxalin-2-yl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-(3-benzylimidazol-3-ium-1-yl)quinoxalin-2-yl]-3-nitro-benzenesulfonamide Formula: C24H19N6O4S+ MolecularWeight: 487.51046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CN(C=C2)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CN(C=C2)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H19N6O4S/c31-30(32)19-9-6-10-20(15-19)35(33,34)27-23-24(26-22-12-5-4-11-21(22)25-23)29-14-13-28(17-29)16-18-7-2-1-3-8-18/h1-15,17H,16H2,(H,25,27)/q+1